rel-(6R,7aS)-N-[2-(4-chlorophenyl)ethyl]-1-oxo-2-[(thiophen-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Chemical Structure Depiction of
rel-(6R,7aS)-N-[2-(4-chlorophenyl)ethyl]-1-oxo-2-[(thiophen-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
rel-(6R,7aS)-N-[2-(4-chlorophenyl)ethyl]-1-oxo-2-[(thiophen-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Compound characteristics
Compound ID: | C123-0149 |
Compound Name: | rel-(6R,7aS)-N-[2-(4-chlorophenyl)ethyl]-1-oxo-2-[(thiophen-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide |
Molecular Weight: | 428.94 |
Molecular Formula: | C22 H21 Cl N2 O3 S |
Smiles: | C(CNC(C1[C@@H]2C(N(Cc3cccs3)C[C@]23C=C[C@H]1O3)=O)=O)c1ccc(cc1)[Cl] |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.8682 |
logD: | 2.8682 |
logSw: | -3.6757 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.821 |
InChI Key: | ABBLXNGHYPDSHT-CGUCDKRXSA-N |